N4O2Si4
This compound is a silicon oxynitride material characterized by a network structure of silicon, nitrogen, and oxygen atoms. It is primarily utilized in advanced ceramics and thin-film technology due to its chemical stability and mechanical robustness.
NOSi
Overview
Key Properties
Cross-validated computational properties for N4O2Si4, aggregated across 2 databases.
Band GapEnergy needed to move an electron from the valence band to the conduction band. Lower or zero values tend to behave more metallic; larger gaps are more insulating or semiconducting.
4.20–5.18 eV
Range across DFT structures
Energy Above HullThermodynamic distance from the most stable set of competing phases. 0 eV/atom is on the convex hull; small positive values may still be experimentally accessible.
0.000 eV/atom
Best (lowest) across sources
StabilityA plain-language summary of the best reported energy-above-hull result. It reflects whether the lowest-energy structure is on, near, or far from the stability hull.
On hull (stable)
1 DFT source
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
25
2 databases, 4 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for N4O2Si4, ranked by energy above hull.
| Space GroupSymmetry classification of the crystal arrangement. The number is the international space-group index. | Crystal SystemBroad lattice family, such as cubic, tetragonal, monoclinic, or triclinic, derived from unit-cell symmetry. | Band Gap (eV)Electronic gap calculated for this specific reported structure, measured in electronvolts. | E above hull (eV/atom)Thermodynamic distance from the convex hull for this structure, normalized per atom. Lower is generally more stable. | E/atom (eV)Computed total energy normalized per atom. Use energy above hull, not this value alone, when comparing stability. | Density (g/cm³)Mass per relaxed crystal volume, reported in grams per cubic centimeter. |
|---|---|---|---|---|---|
| Cmc21 (No. 36) | orthorhombic | 4.92 | 0.0000 | -8.414 | 2.80 |
| I41/amd (No. 141) | tetragonal | 4.44 | 0.1890 | -8.225 | 3.77 |
| P-3m1 (No. 164) | trigonal | 4.20 | 0.1925 | -8.221 | 3.78 |
| C2/c (No. 15) | monoclinic | 5.18 | 0.3713 | -8.043 | 4.08 |
| Cmc21 (No. 36) | — | — | — | — | — |
| Cmc21 (No. 36) | — | — | — | — | — |
| Cmc21 (No. 36) | — | — | — | — | — |
| Cmc21 (No. 36) | — | — | — | — | — |
| Cmc21 (No. 36) | — | — | — | — | — |
| Cmc21 (No. 36) | — | — | — | — | — |
| Cmc21 (No. 36) | — | — | — | — | — |
| Cmc21 (No. 36) | — | — | — | — | — |
Uses
Applications
Where N4O2Si4 is used.
Semiconductor manufacturingProtective coatingsAdvanced ceramic componentsDielectric layers
Reference
Frequently Asked Questions
Common questions about N4O2Si4, answered from cross-validated data.
What is N4O2Si4?
This compound is a silicon oxynitride material characterized by a network structure of silicon, nitrogen, and oxygen atoms. It is primarily utilized in advanced ceramics and thin-film technology due to its chemical stability and mechanical robustness.
More questions
What is N4O2Si4 used for?
N4O2Si4 is used in semiconductor manufacturing, protective coatings, advanced ceramic components, and dielectric layers.
What is the band gap of N4O2Si4?
N4O2Si4 has a DFT-computed band gap of 4.20–5.18 eV across 25 reported structures.
Is N4O2Si4 a metal, semiconductor, or insulator?
With a wide band gap up to 5.18 eV it is an insulator / wide-band-gap material.
Is N4O2Si4 thermodynamically stable?
Yes — N4O2Si4 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of N4O2Si4?
The lowest-energy reported polymorph of N4O2Si4 is orthorhombic symmetry, space group Cmc21 (No. 36).
What is the density of N4O2Si4?
The computed density of the ground-state structure of N4O2Si4 is 2.80 g/cm³.
How many polymorphs of N4O2Si4 are known?
25 structures of N4O2Si4 are reported across 2 databases, spanning 4 distinct space groups.
What elements does N4O2Si4 contain?
N4O2Si4 contains N, O, and Si (3 elements).
Where does the data for N4O2Si4 come from?
N4O2Si4 data is cross-referenced from materials_project, aflow.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
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